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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-68449
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ta', 'Be', 'Cl']
  • Chemical System: Be-Cl-Ta
  • Density: 7.0882800668768144
  • Atomic Density: 0.05681119800029953
  • Unit Cell Volume: 52.806490720089776
  • Molar Volume: 10.600270671933814
  • Full Formula: Ta1 Be1 Cl1
  • Reduced Formula: TaBeCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1